CID 5931106

Nsc636431

Structural Information

Molecular Formula
C21H15ClO
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC(=CC=C2)Cl)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H15ClO/c22-19-13-7-8-16(14-19)15-20(17-9-3-1-4-10-17)21(23)18-11-5-2-6-12-18/h1-15H/b20-15-
InChIKey
VWTIUGQTUGJJQC-HKWRFOASSA-N
Compound name
(Z)-3-(3-chlorophenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08115 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08843 174.4
[M+Na]+ 341.07037 181.1
[M-H]- 317.07387 183.3
[M+NH4]+ 336.11497 188.6
[M+K]+ 357.04431 173.5
[M+H-H2O]+ 301.07841 165.9
[M+HCOO]- 363.07935 191.7
[M+CH3COO]- 377.09500 185.2
[M+Na-2H]- 339.05582 177.4
[M]+ 318.08060 174.7
[M]- 318.08170 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.